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HCID 726693Erstellt: 27. Oktober 2026

5-(4-Chlorophenyl)-2-furoic acid

AKOS BAR-0043 · ASISCHEM T31175 · IFLAB-BB F0722-7390 · ART-CHEM-BB B025312 · RARECHEM AL BO 1471 · TIMTEC-BB SBB003338 · 5-(4-chlorophenyl)-2-acid · 5-(4-Chlorophenyl)-2-furoic acid

https://huagongshe.com/de/chemical/726693

Molekülstruktur von 5-(4-Chlorophenyl)-2-furoic acid

Identifikatoren & physikalische Daten

CAS No.	41019-45-8
Summenformel	C11H7ClO3
Durchschnittliche Molmasse	222,62 g/mol
Monoisotopische Masse	222,00837176 g/mol
SMILES	O=C(O)c1ccc(-c2ccc(Cl)cc2)o1
InChIKey	XIPQHWUSDHTXOO-UHFFFAOYSA-N
PubChem CID	726693
ChEMBL	CHEMBL197430
ChEBI	CHEBI:194673
EC No.	628-208-2
DTXSID	DTXSID10352441

Chemische & physikalische Eigenschaften

XLogP	3,1
Polarare Oberfläche (TPSA)	50,4
H-Brücken-Donoren	1
H-Brücken-Akzeptoren	3
Frei drehbare Bindungen	2
Schwere Atome	15
Formalladung	0
Komplexität	236
Schmelzpunkt	198-201 °C (dec.)(lit.)
Siedepunkt	394.4±32.0 °C(Predicted)
Dichte	1.374±0.06 g/cm3(Predicted)
Lagerbedingungen	Storage temp. 2-8°C
pKa (Säurekonstante)	3.00±0.10(Predicted)
Aggregatzustand	Powder
Farbe	Pale brown
InChI	1S/C11H7ClO3/c12-8-3-1-7(2-4-8)9-5-6-10(15-9)11(13)14/h1-6H,(H,13,14)
InChIKey	XIPQHWUSDHTXOO-UHFFFAOYSA-N
SMILES	OC(=O)c1ccc(o1)-c2ccc(Cl)cc2
CAS Datenbank	41019-45-8(CAS DataBase Reference)

Sicherheit & Vorschriften

GHS-Einstufung	WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Skin Irrit. 2 (100%)
Wassergefährdungsklasse (WGK)	3
Zollcode	29321900
R-Sätze (R)	36/37/38
Gefahrensymbole	Xi
hazard_note	Irritant
Sicherheitshinweise (S)	26-36
Lagerklasse	11 - Combustible Solids
Gefahrenklasse	Eye Irrit. 2Skin Irrit. 2STOT SE 3

CAS No.

41019-45-8

Summenformel

C11H7ClO3

Durchschnittliche Molmasse

222,62 g/mol

Monoisotopische Masse

222,00837176 g/mol

SMILES

O=C(O)c1ccc(-c2ccc(Cl)cc2)o1

InChIKey

XIPQHWUSDHTXOO-UHFFFAOYSA-N

PubChem CID

726693

ChEMBL

CHEMBL197430

ChEBI

CHEBI:194673

EC No.

628-208-2

DTXSID

DTXSID10352441

Chemische & physikalische Eigenschaften

XLogP

3,1

Polarare Oberfläche (TPSA)

50,4

H-Brücken-Donoren

H-Brücken-Akzeptoren

Frei drehbare Bindungen

Schwere Atome

Formalladung

Komplexität

236

Schmelzpunkt

198-201 °C (dec.)(lit.)

Siedepunkt

394.4±32.0 °C(Predicted)

Dichte

1.374±0.06 g/cm3(Predicted)

Lagerbedingungen

Storage temp. 2-8°C

pKa (Säurekonstante)

3.00±0.10(Predicted)

Aggregatzustand

Powder

Farbe

Pale brown

InChI

1S/C11H7ClO3/c12-8-3-1-7(2-4-8)9-5-6-10(15-9)11(13)14/h1-6H,(H,13,14)

InChIKey

XIPQHWUSDHTXOO-UHFFFAOYSA-N

SMILES

OC(=O)c1ccc(o1)-c2ccc(Cl)cc2

CAS Datenbank

41019-45-8(CAS DataBase Reference)

Sicherheit & Vorschriften

GHS-Einstufung

WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard Classes and Categories

Skin Irrit. 2 (100%)

Wassergefährdungsklasse (WGK)

Zollcode

29321900

R-Sätze (R)

36/37/38

Gefahrensymbole

hazard_note

Irritant

Sicherheitshinweise (S)

26-36

Lagerklasse

11 - Combustible Solids

Gefahrenklasse

Eye Irrit. 2Skin Irrit. 2STOT SE 3